N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide

C18H15N7O — CID 166358998

IUPACN-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2nc(C(=O)Nc3nc4cc(C#N)ccc4n3C)ccc12
InChIInChI=1S/C18H15N7O/c1-10-12-5-6-13(20-16(12)25(3)23-10)17(26)22-18-21-14-8-11(9-19)4-7-15(14)24(18)2/h4-8H,1-3H3,(H,21,22,26)
InChIKeyBFHALXSQNKHBDN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.29
Rot. Bonds2

About N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide

N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 166358998) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID166358998
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C)c2nc(C(=O)Nc3nc4cc(C#N)ccc4n3C)ccc12
InChIInChI=1S/C18H15N7O/c1-10-12-5-6-13(20-16(12)25(3)23-10)17(26)22-18-21-14-8-11(9-19)4-7-15(14)24(18)2/h4-8H,1-3H3,(H,21,22,26)
InChIKeyBFHALXSQNKHBDN-UHFFFAOYSA-N
XLogP2.29
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
CID 166260961
3-cyano-N-(1-methylbenzimidazol-2-yl)benzamide
CID 35280472
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
2-[5-cyano-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethylphosphonic acid
CID 170008519
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
methyl 3-(5-cyano-1-methylbenzimidazol-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 176658212
2-amino-3-(5-cyano-1-methylbenzimidazol-2-yl)propanoic acid
CID 83440746
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917
(2-chloro-4-methylphenyl) 1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 154749028
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 166358998) is N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide is Cc1nn(C)c2nc(C(=O)Nc3nc4cc(C#N)ccc4n3C)ccc12.
What is the InChIKey of N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is BFHALXSQNKHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-10-12-5-6-13(20-16(12)25(3)23-10)17(26)22-18-21-14-8-11(9-19)4-7-15(14)24(18)2/h4-8H,1-3H3,(H,21,22,26).
What are the key properties of N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide?
N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1-methylbenzimidazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 166358998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).